N-[3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[3-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[3-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[3-[[4-(3-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]phenyl]acetamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H26N4O3S2/c1-15-5-4-12-25(14-15)30(27,28)20-10-8-17(9-11-20)23-21(29)24-19-7-3-6-18(13-19)22-16(2)26/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,26)(H2,23,24,29)