3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H34N4O5S2 MolecularWeight: 546.70196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N4O5S2/c1-29-16-18-30(19-17-29)37(33,34)23-14-12-22(13-15-23)27-26(36)28-24(31)10-5-11-25(32)35-20-6-9-21-7-3-2-4-8-21/h2-4,7-8,12-15H,5-6,9-11,16-20H2,1H3,(H2,27,28,31,36)