1-[2,5-dimethyl-4-[(phenylmethyl)carbamothioylamino]phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2,5-dimethyl-4-[(phenylmethyl)carbamothioylamino]phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-(benzylcarbamothioylamino)-2,5-dimethyl-phenyl]thiourea CAS Name: 1-[2,5-dimethyl-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(benzylcarbamothioylamino)-2,5-dimethylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-(benzylthiocarbamoylamino)-2,5-dimethyl-phenyl]thiourea Formula: C24H26N4S2 MolecularWeight: 434.62004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)C)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C24H26N4S2/c1-17-13-22(28-24(30)26-16-20-11-7-4-8-12-20)18(2)14-21(17)27-23(29)25-15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)