methyl 4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioylamino)benzoate CAS Name: 4-[[7,11-dioxa-3-azaspiro[5.5]undecan-3-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioylamino)benzoate Traditional Name: 4-(7,11-dioxa-3-azaspiro[5.5]undecane-3-carbothioylamino)benzoic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)OCCCO3

InChI

InChI=1S/C17H22N2O4S/c1-21-15(20)13-3-5-14(6-4-13)18-16(24)19-9-7-17(8-10-19)22-11-2-12-23-17/h3-6H,2,7-12H2,1H3,(H,18,24)