1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C20H20N4OS3 MolecularWeight: 428.594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS3/c1-14-11-12-24(16-9-5-6-10-17(16)27-14)18(25)13-26-20-23-22-19(28-20)21-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,22)