1-(1-methylpiperidin-4-yl)-3-octan-3-yl-1-phenethyl-thiourea

Systemtic Name: 1-(1-methylpiperidin-4-yl)-3-octan-3-yl-1-phenethyl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 1-(1-methyl-4-piperidinyl)-3-octan-3-yl-1-phenethylthiourea IUPAC Name: 1-(1-methylpiperidin-4-yl)-3-octan-3-yl-1-phenethylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C23H39N3S MolecularWeight: 389.64086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C

InChI

InChI=1S/C23H39N3S/c1-4-6-8-13-21(5-2)24-23(27)26(22-15-17-25(3)18-16-22)19-14-20-11-9-7-10-12-20/h7,9-12,21-22H,4-6,8,13-19H2,1-3H3,(H,24,27)