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

Systemtic Name: 3-heptyl-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea Openeye Name: 3-heptyl-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 3-heptyl-1-(1-methyl-4-piperidinyl)-1-phenethylthiourea IUPAC Name: 3-heptyl-1-(1-methylpiperidin-4-yl)-1-phenethylthiourea Traditional Name: 3-heptyl-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C22H37N3S MolecularWeight: 375.61428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C

Isomeric SMILES

CCCCCCCNC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C

InChI

InChI=1S/C22H37N3S/c1-3-4-5-6-10-16-23-22(26)25(21-14-17-24(2)18-15-21)19-13-20-11-8-7-9-12-20/h7-9,11-12,21H,3-6,10,13-19H2,1-2H3,(H,23,26)