1-methyl-1-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-1-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[[4-oxo-4-(2-thienyl)butanoyl]amino]thiourea CAS Name: 1-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]thiourea Traditional Name: 3-benzyl-1-[[4-keto-4-(2-thienyl)butanoyl]amino]-1-methyl-thiourea Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H19N3O2S2/c1-20(17(23)18-12-13-6-3-2-4-7-13)19-16(22)10-9-14(21)15-8-5-11-24-15/h2-8,11H,9-10,12H2,1H3,(H,18,23)(H,19,22)