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

Systemtic Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide IUPAC Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NN=C(S4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)CSC4=NN=C(S4)C

InChI

InChI=1S/C22H21N5OS2/c1-3-16-20(15-9-5-4-6-10-15)21(24-18-12-8-7-11-17(18)23-16)25-19(28)13-29-22-27-26-14(2)30-22/h4-12,20H,3,13H2,1-2H3,(H,24,25,28)/t20-/m0/s1