methyl 4-(pyrrolidin-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(pyrrolidin-1-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(pyrrolidine-1-carbothioylamino)benzoate CAS Name: 4-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pyrrolidine-1-carbothioylamino)benzoate Traditional Name: 4-(pyrrolidine-1-carbothioylamino)benzoic acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC2

InChI

InChI=1S/C13H16N2O2S/c1-17-12(16)10-4-6-11(7-5-10)14-13(18)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H,14,18)