1-(phenylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiourea

Systemtic Name: 1-(phenylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiourea Openeye Name: 1-benzyl-1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiourea CAS Name: 1-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea Traditional Name: 1-benzyl-1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiourea Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NN(CC3=CC=CC=C3)C(=S)N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NN(CC3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C17H19N3OS2/c18-17(22)20(10-12-6-2-1-3-7-12)19-16(21)14-11-23-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2,(H2,18,22)(H,19,21)