N-[(4-acetamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-13(26)21-15-5-7-16(8-6-15)22-20(30)23-19(27)14-4-9-17(18(12-14)25(28)29)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,21,26)(H2,22,23,27,30)