N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide IUPAC Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NN=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NN=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS2/c1-13-19(15-8-4-3-5-9-15)20(23-17-11-7-6-10-16(17)22-13)24-18(27)12-28-21-26-25-14(2)29-21/h3-11,22H,12H2,1-2H3,(H,23,24,27)