1-[3-(azepan-1-yl)propyl]-3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethyl-6-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(2-ethyl-6-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethyl-6-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethyl-6-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C24H35N3OS/c1-3-21-12-8-11-20(2)23(21)25-24(29)27(19-22-13-9-18-28-22)17-10-16-26-14-6-4-5-7-15-26/h8-9,11-13,18H,3-7,10,14-17,19H2,1-2H3,(H,25,29)