O-methyl N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioate

Systemtic Name: O-methyl N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioate Openeye Name: O-methyl N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioate CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioate Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamic acid O-methyl ester Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO2S2/c1-20-17(21)18-16-14(12-9-5-6-10-13(12)22-16)15(19)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)