1-(3-chloranyl-2-methyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C22H18ClN3S2 MolecularWeight: 423.98142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C22H18ClN3S2/c1-13-6-11-19-20(12-13)28-21(25-19)15-7-9-16(10-8-15)24-22(27)26-18-5-3-4-17(23)14(18)2/h3-12H,1-2H3,(H2,24,26,27)