N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyridylthio)acetamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC(=C(C=C3)OC)OC)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC(=C(C=C3)OC)OC)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C25H24N4O3S/c1-16-24(17-11-12-20(31-2)21(14-17)32-3)25(28-19-9-5-4-8-18(19)27-16)29-22(30)15-33-23-10-6-7-13-26-23/h4-14,24H,15H2,1-3H3,(H,28,29,30)/t24-/m1/s1