3-(1H-indol-3-ylmethyl)-2-sulfanylidene-3,4-dihydro-1H-1,4-benzodiazepin-5-one

Systemtic Name: 3-(1H-indol-3-ylmethyl)-2-sulfanylidene-3,4-dihydro-1H-1,4-benzodiazepin-5-one Openeye Name: 3-(1H-indol-3-ylmethyl)-2-thioxo-3,4-dihydro-1H-1,4-benzodiazepin-5-one CAS Name: 3-(1H-indol-3-ylmethyl)-2-sulfanylidene-3,4-dihydro-1H-1,4-benzodiazepin-5-one IUPAC Name: 3-(1H-indol-3-ylmethyl)-2-sulfanylidene-3,4-dihydro-1H-1,4-benzodiazepin-5-one Traditional Name: 3-(1H-indol-3-ylmethyl)-2-thioxo-3,4-dihydro-1H-1,4-benzodiazepin-5-one Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=S)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=S)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C18H15N3OS/c22-17-13-6-2-4-8-15(13)21-18(23)16(20-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,22)(H,21,23)