4-chloranylbutyl [2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]sulfanylmethanoate

Systemtic Name: 4-chloranylbutyl [2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]sulfanylmethanoate Openeye Name: 4-chlorobutyl [2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl]sulfanylformate CAS Name: [[2-[[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-oxomethyl]phenyl]thio]formic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl [2-[(1-amino-3-methyl-1-oxopentan-2-yl)carbamoyl]phenyl]sulfanylformate Traditional Name: [[2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl]thio]formic acid 4-chlorobutyl ester Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)OCCCCCl

Isomeric SMILES

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)OCCCCCl

InChI

InChI=1S/C18H25ClN2O4S/c1-3-12(2)15(16(20)22)21-17(23)13-8-4-5-9-14(13)26-18(24)25-11-7-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,22)(H,21,23)