methyl 2-(1-phenylethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-phenylethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1-phenylethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-phenylethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1-phenylethylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C20H24N2O2S2/c1-13(14-9-5-3-6-10-14)21-20(25)22-18-17(19(23)24-2)15-11-7-4-8-12-16(15)26-18/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H2,21,22,25)