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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H30ClN3O2S/c1-17-14-20(21(27-2)15-19(17)23)24-22(29)26(16-18-8-7-13-28-18)12-11-25-9-5-3-4-6-10-25/h7-8,13-15H,3-6,9-12,16H2,1-2H3,(H,24,29)