N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C26H35ClN4O4S MolecularWeight: 535.0985

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC)Cl

InChI

InChI=1S/C26H35ClN4O4S/c1-5-30-11-13-31(14-12-30)21-10-9-19(17-20(21)27)28-26(36)29-25(32)18-15-22(33-6-2)24(35-8-4)23(16-18)34-7-3/h9-10,15-17H,5-8,11-14H2,1-4H3,(H2,28,29,32,36)