1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenyl-thiourea

Systemtic Name: 1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenyl-thiourea Openeye Name: 1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenyl-thiourea CAS Name: 1-[2-[[anilino(sulfanylidene)methyl]amino]-6,12-diphenyl-8-benzo[c][1,5]benzodiazocinyl]-3-phenylthiourea IUPAC Name: 1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenylthiourea Traditional Name: 1-[6,12-diphenyl-2-(phenylthiocarbamoylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenyl-thiourea Formula: C40H30N6S2 MolecularWeight: 658.8364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)C(=NC5=C2C=C(C=C5)NC(=S)NC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)C(=NC5=C2C=C(C=C5)NC(=S)NC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H30N6S2/c47-39(41-29-17-9-3-10-18-29)43-31-21-23-35-33(25-31)37(27-13-5-1-6-14-27)45-36-24-22-32(44-40(48)42-30-19-11-4-12-20-30)26-34(36)38(46-35)28-15-7-2-8-16-28/h1-26H,(H2,41,43,47)(H2,42,44,48)