methyl 2-[[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(5-chloro-2-methoxyanilino)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-chloro-2-methoxyphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C15H19ClN4O4S MolecularWeight: 386.85376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC(=O)OC

InChI

InChI=1S/C15H19ClN4O4S/c1-23-12-5-4-10(16)8-11(12)18-14(22)19-6-3-7-20(19)15(25)17-9-13(21)24-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,25)(H,18,22)