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

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-chlorophenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-(2-furfuryl)thiourea Formula: C21H28ClN3OS MolecularWeight: 405.98452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3OS/c22-18-8-10-19(11-9-18)23-21(27)25(17-20-7-5-16-26-20)15-6-14-24-12-3-1-2-4-13-24/h5,7-11,16H,1-4,6,12-15,17H2,(H,23,27)