1-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea CAS Name: 1-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]thiourea Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S2/c1-29-18-9-11-19(12-10-18)31(27,28)25-13-5-8-17(15-25)20(26)23-24-21(30)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,23,26)(H2,22,24,30)