methyl 4-(10-azaspiro[5.5]undecan-10-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(10-azaspiro[5.5]undecan-10-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(10-azaspiro[5.5]undecane-10-carbothioylamino)benzoate CAS Name: 4-[[10-azaspiro[5.5]undecan-10-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(10-azaspiro[5.5]undecane-10-carbothioylamino)benzoate Traditional Name: 4-(10-azaspiro[5.5]undecane-10-carbothioylamino)benzoic acid methyl ester Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC3(C2)CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC3(C2)CCCCC3

InChI

InChI=1S/C19H26N2O2S/c1-23-17(22)15-6-8-16(9-7-15)20-18(24)21-13-5-12-19(14-21)10-3-2-4-11-19/h6-9H,2-5,10-14H2,1H3,(H,20,24)