1-[3-(azepan-1-yl)propyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C23H32ClN3O2S MolecularWeight: 450.03708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C23H32ClN3O2S/c1-18-15-21(22(28-2)16-20(18)24)25-23(30)27(17-19-9-7-14-29-19)13-8-12-26-10-5-3-4-6-11-26/h7,9,14-16H,3-6,8,10-13,17H2,1-2H3,(H,25,30)