1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-(2-ethylpiperidino)sulfonylphenyl]thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-2-19-10-6-7-15-24(19)28(25,26)20-13-11-18(12-14-20)23-21(27)22-16-17-8-4-3-5-9-17/h3-5,8-9,11-14,19H,2,6-7,10,15-16H2,1H3,(H2,22,23,27)