1-(5-chloranyl-2-methoxy-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3OS2/c1-13-3-9-17-20(11-13)29-21(25-17)14-4-7-16(8-5-14)24-22(28)26-18-12-15(23)6-10-19(18)27-2/h3-12H,1-2H3,(H2,24,26,28)