N-[5-(1-benzothiophen-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methyl-propanamide

Systemtic Name: N-[5-(1-benzothiophen-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methyl-propanamide Openeye Name: N-[5-(benzothiophen-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methyl-propanamide CAS Name: N-[5-(1-benzothiophen-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methylpropanamide IUPAC Name: N-[5-(1-benzothiophen-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methylpropanamide Traditional Name: N-[5-(benzothiophen-2-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-methyl-propionamide Formula: C28H23Cl2N3O2S MolecularWeight: 536.47212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5S4)C

Isomeric SMILES

CC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5S4)C

InChI

InChI=1S/C28H23Cl2N3O2S/c1-16(13-17-11-12-20(29)21(30)14-17)27(34)32-26-28(35)33(2)22-9-5-4-8-19(22)25(31-26)24-15-18-7-3-6-10-23(18)36-24/h3-12,14-16,26H,13H2,1-2H3,(H,32,34)