N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-4-25-11-13-26(14-12-25)18-8-6-17(7-9-18)23-22(30)24-21(27)16-5-10-19(28-2)20(15-16)29-3/h5-10,15H,4,11-14H2,1-3H3,(H2,23,24,27,30)