N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N6O3S/c1-12-10-13(2)21-18(20-12)23-19(29)22-17(26)14-6-7-15(16(11-14)25(27)28)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,22,23,26,29)