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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H30ClN3O2S/c1-27-21-10-9-18(23)16-20(21)24-22(29)26(17-19-8-6-15-28-19)14-7-13-25-11-4-2-3-5-12-25/h6,8-10,15-16H,2-5,7,11-14,17H2,1H3,(H,24,29)