N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H23ClN4O4S/c26-18-5-9-20(10-6-18)34-21-11-7-19(8-12-21)27-25(35)28-24(31)17-4-13-22(23(16-17)30(32)33)29-14-2-1-3-15-29/h4-13,16H,1-3,14-15H2,(H2,27,28,31,35)