3-(5-chloranyl-2-methoxy-phenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ylpropyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ylpropyl)thiourea Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2-furylmethyl)-1-[3-(1-piperidyl)propyl]thiourea CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-(2-furanylmethyl)-1-[3-(1-piperidinyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(3-piperidin-1-ylpropyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2-furfuryl)-1-(3-piperidinopropyl)thiourea Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H28ClN3O2S/c1-26-20-9-8-17(22)15-19(20)23-21(28)25(16-18-7-5-14-27-18)13-6-12-24-10-3-2-4-11-24/h5,7-9,14-15H,2-4,6,10-13,16H2,1H3,(H,23,28)