1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(1-indan-5-ylsulfonylisonipecotoyl)amino]-3-(3-methoxyphenyl)thiourea Formula: C23H28N4O4S2 MolecularWeight: 488.62282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H28N4O4S2/c1-31-20-7-3-6-19(15-20)24-23(32)26-25-22(28)17-10-12-27(13-11-17)33(29,30)21-9-8-16-4-2-5-18(16)14-21/h3,6-9,14-15,17H,2,4-5,10-13H2,1H3,(H,25,28)(H2,24,26,32)