3-(2-chloranyl-4,6-dimethyl-phenyl)-1-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-4,6-dimethyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-(2-furanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-4,6-dimethylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(2-chloro-4,6-dimethyl-phenyl)-1-(2-furfuryl)thiourea Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C21H21ClN2OS/c1-15-11-16(2)20(19(22)12-15)23-21(26)24(14-18-9-6-10-25-18)13-17-7-4-3-5-8-17/h3-12H,13-14H2,1-2H3,(H,23,26)