methyl 2-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O4S2/c1-29-19(26)12-17-20(27)23-10-11-25(17)21(28)15-8-6-14(7-9-15)13-30-22-24-16-4-2-3-5-18(16)31-22/h2-9,17H,10-13H2,1H3,(H,23,27)