N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide CAS Name: N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Traditional Name: N-[(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)OC)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=C(C=C3)OC)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S/c1-14-20(15-9-11-16(27-2)12-10-15)21(25-22(26)19-8-5-13-28-19)24-18-7-4-3-6-17(18)23-14/h3-13,20H,1-2H3,(H,24,25,26)/t20-/m1/s1