N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S2/c1-24-13-15-25(16-14-24)30(27,28)19-10-8-18(9-11-19)22-21(29)23-20(26)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3,(H2,22,23,26,29)