N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-14-13-32-23(25-14)33-20-9-8-17(11-19(20)27(30)31)21(28)24-12-15-4-2-7-18(10-15)26-22(29)16-5-3-6-16/h2,4,7-11,13,16H,3,5-6,12H2,1H3,(H,24,28)(H,26,29)