4-chloranyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4S2/c1-11-22-15-6-4-13(10-18(15)31-11)23-20(27)16(7-8-30-2)24-19(26)12-3-5-14(21)17(9-12)25(28)29/h3-6,9-10,16H,7-8H2,1-2H3,(H,23,27)(H,24,26)