methyl 3-[[8-(4-ethoxyphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[8-(4-ethoxyphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[8-(4-ethoxybenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[8-[(4-ethoxyphenyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[8-(4-ethoxybenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[8-(4-ethoxybenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=C(SC=C4C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=C(SC=C4C)C(=O)OC

InChI

InChI=1S/C25H31N3O4S2/c1-4-32-19-7-5-18(6-8-19)22(29)27-12-9-25(10-13-27)11-14-28(16-25)24(33)26-20-17(2)15-34-21(20)23(30)31-3/h5-8,15H,4,9-14,16H2,1-3H3,(H,26,33)