4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S2/c1-14-13-30-21(24-14)31-18-6-5-16(10-17(18)26(28)29)20(27)23-12-15-4-7-19(22-11-15)25-8-2-3-9-25/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,23,27)