1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]thiourea Openeye Name: 1-[6,12-diphenyl-2-(p-tolylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-(p-tolyl)thiourea CAS Name: 1-[2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-6,12-diphenyl-8-benzo[c][1,5]benzodiazocinyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea Traditional Name: 1-[6,12-diphenyl-2-(p-tolylthiocarbamoylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-(p-tolyl)thiourea Formula: C42H34N6S2 MolecularWeight: 686.88956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=S)NC5=CC=C(C=C5)C)N=C3C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=S)NC5=CC=C(C=C5)C)N=C3C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H34N6S2/c1-27-13-17-31(18-14-27)43-41(49)45-33-21-23-37-35(25-33)39(29-9-5-3-6-10-29)48-38-24-22-34(46-42(50)44-32-19-15-28(2)16-20-32)26-36(38)40(47-37)30-11-7-4-8-12-30/h3-26H,1-2H3,(H2,43,45,49)(H2,44,46,50)