N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3,5-dichlorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3,5-dichloroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3,5-dichlorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3,5-dichlorophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N4O3S/c19-12-8-13(20)10-14(9-12)21-18(28)22-17(25)11-3-4-15(16(7-11)24(26)27)23-5-1-2-6-23/h3-4,7-10H,1-2,5-6H2,(H2,21,22,25,28)