1-[5-(7-bromanyl-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]thiourea

Systemtic Name: 1-[5-(7-bromanyl-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]thiourea Openeye Name: [5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiourea CAS Name: [5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chlorophenyl]thiourea IUPAC Name: [5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chlorophenyl]thiourea Traditional Name: [5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiourea Formula: C16H13BrClN3OS MolecularWeight: 410.71592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)Br)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)N

Isomeric SMILES

CC1=CC2=C(C(=C1C)Br)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)N

InChI

InChI=1S/C16H13BrClN3OS/c1-7-5-12-14(13(17)8(7)2)22-15(20-12)9-3-4-10(18)11(6-9)21-16(19)23/h3-6H,1-2H3,(H3,19,21,23)