ethyl 2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(3-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(3-methoxyphenyl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N2O3S2/c1-4-26-20(24)18-16-10-5-6-11-17(16)28-19(18)23-21(27)22-13(2)14-8-7-9-15(12-14)25-3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H2,22,23,27)