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

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloranyl-3-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-chloro-3-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C22H30ClN3OS MolecularWeight: 420.0111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)Cl

InChI

InChI=1S/C22H30ClN3OS/c1-18-16-19(9-10-21(18)23)24-22(28)26(17-20-8-6-15-27-20)14-7-13-25-11-4-2-3-5-12-25/h6,8-10,15-16H,2-5,7,11-14,17H2,1H3,(H,24,28)