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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-(2-ethyl-6-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-(2-ethyl-6-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-(2-ethyl-6-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-(2-ethyl-6-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C23H33N3OS/c1-3-20-11-8-10-19(2)22(20)24-23(28)26(18-21-12-9-17-27-21)16-15-25-13-6-4-5-7-14-25/h8-12,17H,3-7,13-16,18H2,1-2H3,(H,24,28)