1-[3-[[bis[[3-[(phenylmethyl)carbamothioylamino]phenyl]methyl]amino]methyl]phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-[[bis[[3-[(phenylmethyl)carbamothioylamino]phenyl]methyl]amino]methyl]phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-[[bis[[3-(benzylcarbamothioylamino)phenyl]methyl]amino]methyl]phenyl]thiourea CAS Name: 1-[3-[[bis[[3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]methyl]amino]methyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-[[bis[[3-(benzylcarbamothioylamino)phenyl]methyl]amino]methyl]phenyl]thiourea Traditional Name: 1-benzyl-3-[3-[[bis[3-(benzylthiocarbamoylamino)benzyl]amino]methyl]phenyl]thiourea Formula: C45H45N7S3 MolecularWeight: 780.0807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)CN(CC3=CC(=CC=C3)NC(=S)NCC4=CC=CC=C4)CC5=CC(=CC=C5)NC(=S)NCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC(=C2)CN(CC3=CC(=CC=C3)NC(=S)NCC4=CC=CC=C4)CC5=CC(=CC=C5)NC(=S)NCC6=CC=CC=C6

InChI

InChI=1S/C45H45N7S3/c53-43(46-28-34-13-4-1-5-14-34)49-40-22-10-19-37(25-40)31-52(32-38-20-11-23-41(26-38)50-44(54)47-29-35-15-6-2-7-16-35)33-39-21-12-24-42(27-39)51-45(55)48-30-36-17-8-3-9-18-36/h1-27H,28-33H2,(H2,46,49,53)(H2,47,50,54)(H2,48,51,55)