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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S2/c1-15-14-30-22(23-15)31-20-8-7-17(11-19(20)26(28)29)21(27)24-18-9-10-25(13-18)12-16-5-3-2-4-6-16/h2-8,11,14,18H,9-10,12-13H2,1H3,(H,24,27)