3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furylmethyl)-1-[2-(1-piperidyl)ethyl]thiourea CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-furanylmethyl)-1-[2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-furfuryl)-1-(2-piperidinoethyl)thiourea Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H28ClN3O2S/c1-16-13-19(20(26-2)14-18(16)22)23-21(28)25(15-17-7-6-12-27-17)11-10-24-8-4-3-5-9-24/h6-7,12-14H,3-5,8-11,15H2,1-2H3,(H,23,28)