methyl 3-[(2R)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidothioate

Systemtic Name: methyl 3-[(2R)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidothioate Openeye Name: methyl 3-[(2R)-3-(4-methylsulfonylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzenecarboximidothioate CAS Name: 3-[(2R)-3-(4-methylsulfonyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidothioic acid methyl ester IUPAC Name: methyl 3-[(2R)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidothioate Traditional Name: 3-[(2R)-3-keto-3-(4-mesylpiperazino)-2-(2-naphthylsulfonylamino)propyl]benzenecarboximidothioic acid methyl ester Formula: C26H30N4O5S3 MolecularWeight: 574.7352

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=CC(=CC=C1)CC(C(=O)N2CCN(CC2)S(=O)(=O)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC(=N)C1=CC(=CC=C1)C[C@H](C(=O)N2CCN(CC2)S(=O)(=O)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N4O5S3/c1-36-25(27)22-9-5-6-19(16-22)17-24(26(31)29-12-14-30(15-13-29)37(2,32)33)28-38(34,35)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,27-28H,12-15,17H2,1-2H3/t24-/m1/s1