N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-4-(3,5-dimethylpiperidino)-3-nitro-benzamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=C(S3)SCC(=O)N)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=C(S3)SCC(=O)N)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O4S2/c1-11-6-12(2)9-24(8-11)15-5-4-14(7-16(15)25(28)29)18(27)23-20-22-13(3)19(31-20)30-10-17(21)26/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,21,26)(H,22,23,27)