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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 1-(2-furylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3-(m-tolyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methylphenyl)-1-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 1-(2-furfuryl)-1-[3-(4-methylpiperazino)propyl]-3-(m-tolyl)thiourea Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-18-6-3-7-19(16-18)22-21(27)25(17-20-8-4-15-26-20)10-5-9-24-13-11-23(2)12-14-24/h3-4,6-8,15-16H,5,9-14,17H2,1-2H3,(H,22,27)