N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O3S/c1-15-20(16(2)28-27-15)13-17-5-8-19(9-6-17)25-24(34)26-23(31)18-7-10-21(22(14-18)30(32)33)29-11-3-4-12-29/h5-10,14H,3-4,11-13H2,1-2H3,(H,27,28)(H2,25,26,31,34)