1-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(1,1-dioxo-2,3-dihydrothiophen-4-yl)thiourea CAS Name: 1-(1,1-dioxo-2,3-dihydrothiophen-4-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(1,1-dioxo-2,3-dihydrothiophen-4-yl)thiourea Traditional Name: 1-benzyl-3-(1,1-diketo-2,3-dihydrothiophen-4-yl)thiourea Formula: C12H14N2O2S2 MolecularWeight: 282.38176

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C=C1NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1CS(=O)(=O)C=C1NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S2/c15-18(16)7-6-11(9-18)14-12(17)13-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,14,17)