N-[3-(2-chlorophenyl)carbonyl-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-2-yl]-1,4-bis(oxidanylidene)-2-phenyl-3H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(2-chlorophenyl)carbonyl-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-2-yl]-1,4-bis(oxidanylidene)-2-phenyl-3H-isoquinoline-3-carboxamide Openeye Name: N-[3-(2-chlorobenzoyl)-5-[2-(4-isobutylphenyl)ethyl]-2-thienyl]-1,4-dioxo-2-phenyl-3H-isoquinoline-3-carboxamide CAS Name: N-[3-[(2-chlorophenyl)-oxomethyl]-5-[2-[4-(2-methylpropyl)phenyl]ethyl]-2-thiophenyl]-1,4-dioxo-2-phenyl-3H-isoquinoline-3-carboxamide IUPAC Name: N-[3-(2-chlorobenzoyl)-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-2-yl]-1,4-dioxo-2-phenyl-3H-isoquinoline-3-carboxamide Traditional Name: N-[3-(2-chlorobenzoyl)-5-[2-(4-isobutylphenyl)ethyl]-2-thienyl]-1,4-diketo-2-phenyl-3H-isoquinoline-3-carboxamide Formula: C39H33ClN2O4S MolecularWeight: 661.20832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CCC2=CC(=C(S2)NC(=O)C3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C(=O)C6=CC=CC=C6Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CCC2=CC(=C(S2)NC(=O)C3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C(=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C39H33ClN2O4S/c1-24(2)22-26-18-16-25(17-19-26)20-21-28-23-32(35(43)31-14-8-9-15-33(31)40)38(47-28)41-37(45)34-36(44)29-12-6-7-13-30(29)39(46)42(34)27-10-4-3-5-11-27/h3-19,23-24,34H,20-22H2,1-2H3,(H,41,45)