3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-thiophen-3-yl-isoquinoline-4-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-[(1S)-1-phenylpropyl]-2-thiophen-3-yl-isoquinoline-4-carboxamide Openeye Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(3-thienyl)isoquinoline-4-carboxamide CAS Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-(3-thiophenyl)-4-isoquinolinecarboxamide IUPAC Name: 3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]-2-thiophen-3-ylisoquinoline-4-carboxamide Traditional Name: 1-keto-3-methyl-N-[(1S)-1-phenylpropyl]-2-(3-thienyl)isoquinoline-4-carboxamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CSC=C4)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CSC=C4)C

InChI

InChI=1S/C24H22N2O2S/c1-3-21(17-9-5-4-6-10-17)25-23(27)22-16(2)26(18-13-14-29-15-18)24(28)20-12-8-7-11-19(20)22/h4-15,21H,3H2,1-2H3,(H,25,27)/t21-/m0/s1