1-[3-chloranyl-5-[(phenylmethyl)carbamothioylamino]phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-chloranyl-5-[(phenylmethyl)carbamothioylamino]phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(benzylcarbamothioylamino)-5-chloro-phenyl]thiourea CAS Name: 1-[3-chloro-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(benzylcarbamothioylamino)-5-chlorophenyl]thiourea Traditional Name: 1-benzyl-3-[3-(benzylthiocarbamoylamino)-5-chloro-phenyl]thiourea Formula: C22H21ClN4S2 MolecularWeight: 441.01194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4S2/c23-18-11-19(26-21(28)24-14-16-7-3-1-4-8-16)13-20(12-18)27-22(29)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H2,24,26,28)(H2,25,27,29)