N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H28N4O2S/c1-16(2)28-20-6-4-5-17(15-20)21(27)24-22(29)23-18-7-9-19(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-16H,11-14H2,1-3H3,(H2,23,24,27,29)