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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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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)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S2/c1-13-12-31-22(24-13)32-19-8-7-16(10-18(19)26(29)30)20(27)23-11-14-3-2-4-17(9-14)25-21(28)15-5-6-15/h2-4,7-10,12,15H,5-6,11H2,1H3,(H,23,27)(H,25,28)