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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-[3-(pyrrolidine-1-carbonyl)benzyl]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)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-15-14-32-23(25-15)33-20-8-7-17(12-19(20)27(30)31)21(28)24-13-16-5-4-6-18(11-16)22(29)26-9-2-3-10-26/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,24,28)