3-methyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-butanamide

Systemtic Name: 3-methyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-butanamide Openeye Name: 3-methyl-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]butanamide CAS Name: 3-methyl-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]butanamide Traditional Name: 3-methyl-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]butyramide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C)CC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H31N5O3S/c1-16(2)14-20(27)22-21(30)25-12-10-23(11-13-25)17-6-7-18(26(28)29)19(15-17)24-8-4-3-5-9-24/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,22,27,30)