1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furylmethyl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-1-(2-furanylmethyl)-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furfuryl)-3-[3-(methylthio)phenyl]thiourea Formula: C22H31N3OS2 MolecularWeight: 417.63104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H31N3OS2/c1-28-21-11-6-9-19(17-21)23-22(27)25(18-20-10-7-16-26-20)15-8-14-24-12-4-2-3-5-13-24/h6-7,9-11,16-17H,2-5,8,12-15,18H2,1H3,(H,23,27)