1-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea CAS Name: 1-methyl-1-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea Traditional Name: 3-benzyl-1-methyl-1-[[4-[(methylthio)methyl]benzoyl]amino]thiourea Formula: C18H21N3OS2 MolecularWeight: 359.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC

InChI

InChI=1S/C18H21N3OS2/c1-21(18(23)19-12-14-6-4-3-5-7-14)20-17(22)16-10-8-15(9-11-16)13-24-2/h3-11H,12-13H2,1-2H3,(H,19,23)(H,20,22)