1-(phenylmethyl)-3-[4-[4-[(phenylmethyl)carbamothioylamino]phenyl]sulfonylphenyl]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[4-[4-[(phenylmethyl)carbamothioylamino]phenyl]sulfonylphenyl]thiourea Openeye Name: 1-benzyl-3-[4-[4-(benzylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea CAS Name: 1-(phenylmethyl)-3-[4-[4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylphenyl]thiourea IUPAC Name: 1-benzyl-3-[4-[4-(benzylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-[4-(benzylthiocarbamoylamino)phenyl]sulfonylphenyl]thiourea Formula: C28H26N4O2S3 MolecularWeight: 546.72664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S3/c33-37(34,25-15-11-23(12-16-25)31-27(35)29-19-21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-28(36)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H2,29,31,35)(H2,30,32,36)