4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC=C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S2/c1-3-9-27-18-21-20-17(28-18)19-16(24)13-6-7-14(15(10-13)23(25)26)22-8-4-5-12(2)11-22/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3,(H,19,20,24)/t12-/m0/s1