1-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H23N3OS3 MolecularWeight: 417.61112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)C3SCCS3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)C3SCCS3)C

InChI

InChI=1S/C20H23N3OS3/c1-3-14-6-4-5-13(2)17(14)21-20(25)23-22-18(24)15-7-9-16(10-8-15)19-26-11-12-27-19/h4-10,19H,3,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)