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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(2-furylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-(2-furfuryl)-1-[3-(4-methylpiperazino)propyl]thiourea Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3)C

InChI

InChI=1S/C22H32N4OS/c1-18-7-8-20(16-19(18)2)23-22(28)26(17-21-6-4-15-27-21)10-5-9-25-13-11-24(3)12-14-25/h4,6-8,15-16H,5,9-14,17H2,1-3H3,(H,23,28)