1-[3-(azepan-1-yl)propyl]-3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(3,4-dimethylphenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(3,4-dimethylphenyl)-1-(2-furfuryl)thiourea Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C23H33N3OS/c1-19-10-11-21(17-20(19)2)24-23(28)26(18-22-9-7-16-27-22)15-8-14-25-12-5-3-4-6-13-25/h7,9-11,16-17H,3-6,8,12-15,18H2,1-2H3,(H,24,28)