N-[[2,3-bis(chloranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2,3-bis(chloranyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2,3-dichlorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2,3-dichloroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2,3-dichlorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2,3-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=C(C(=CC=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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