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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C21H15BrClN3S2 MolecularWeight: 488.8509

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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=C(C=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrClN3S2/c1-12-2-8-18-19(10-12)28-20(25-18)13-3-6-15(7-4-13)24-21(27)26-17-9-5-14(22)11-16(17)23/h2-11H,1H3,(H2,24,26,27)