O-propan-2-yl [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C18H25ClN2O4S3 MolecularWeight: 465.0501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)OC(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C18H25ClN2O4S3/c1-13(2)25-18(26)27-12-17(22)20-16-11-14(7-8-15(16)19)28(23,24)21-9-5-3-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,22)