N-[5-(4-cyanophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-9-yl]ethanamide

Systemtic Name: N-[5-(4-cyanophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-9-yl]ethanamide Openeye Name: N-[5-(4-cyanophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepin-9-yl]acetamide CAS Name: N-[5-(4-cyanophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-9-yl]acetamide IUPAC Name: N-[5-(4-cyanophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-9-yl]acetamide Traditional Name: N-[5-(4-cyanophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepin-9-yl]acetamide Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1NC(=S)CN=C2C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1NC(=S)CN=C2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N4OS/c1-11(23)21-15-4-2-3-14-17(20-10-16(24)22-18(14)15)13-7-5-12(9-19)6-8-13/h2-8H,10H2,1H3,(H,21,23)(H,22,24)