1-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]thiourea CAS Name: 1-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]thiourea Formula: C18H21N3O2S2 MolecularWeight: 375.50824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S2/c1-12-10-15(13(2)25-12)16(22)8-9-17(23)20-21-18(24)19-11-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,23)(H2,19,21,24)