N-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamothioyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(4-methyl-3-piperidinosulfonyl-phenyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C26H34N4O6S3 MolecularWeight: 594.76636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H34N4O6S3/c1-20-5-9-22(19-24(20)39(34,35)29-13-3-2-4-14-29)27-26(37)28-25(31)12-8-21-6-10-23(11-7-21)38(32,33)30-15-17-36-18-16-30/h5-7,9-11,19H,2-4,8,12-18H2,1H3,(H2,27,28,31,37)