3-(3-chloranyl-4-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-(2-furylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(2-furfuryl)-1-[3-(4-methylpiperazino)propyl]thiourea Formula: C21H29ClN4OS MolecularWeight: 420.99916

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4OS/c1-17-6-7-18(15-20(17)22)23-21(28)26(16-19-5-3-14-27-19)9-4-8-25-12-10-24(2)11-13-25/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,23,28)