1-[(3-bromophenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3-bromophenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(3-bromophenyl)carbamothioylamino]-1-methyl-thiourea CAS Name: 1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(3-bromophenyl)carbamothioylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(3-bromophenyl)thiocarbamoylamino]-1-methyl-thiourea Formula: C16H17BrN4S2 MolecularWeight: 409.36698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrN4S2/c1-21(16(23)18-11-12-6-3-2-4-7-12)20-15(22)19-14-9-5-8-13(17)10-14/h2-10H,11H2,1H3,(H,18,23)(H2,19,20,22)