2-bromanyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[2-methyl-4-nitro-5-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(2-methyl-4-nitro-5-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=CC=C2Br)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=CC=C2Br)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)