3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarbothioamide

Systemtic Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarbothioamide Openeye Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzenecarbothioamide CAS Name: 3-[(2S)-3-(4-methylsulfonyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarbothioamide IUPAC Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarbothioamide Traditional Name: 3-[(2S)-3-keto-3-(4-mesylpiperazino)-2-(2-naphthylsulfonylamino)propyl]thiobenzamide Formula: C25H28N4O5S3 MolecularWeight: 560.70862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=S)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=S)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N4O5S3/c1-36(31,32)29-13-11-28(12-14-29)25(30)23(16-18-5-4-8-21(15-18)24(26)35)27-37(33,34)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,27H,11-14,16H2,1H3,(H2,26,35)/t23-/m0/s1