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

Systemtic Name: 1-(phenylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiourea Openeye Name: 1-benzyl-3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiourea CAS Name: 1-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea Traditional Name: 1-benzyl-3-(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)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3OS2/c21-16(14-11-23-15-9-5-4-8-13(14)15)19-20-17(22)18-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)(H2,18,20,22)