1-(1,2-benzoxazol-3-yl)-3-[2-(4-chlorophenyl)ethyl]thiourea

Systemtic Name: 1-(1,2-benzoxazol-3-yl)-3-[2-(4-chlorophenyl)ethyl]thiourea Openeye Name: 1-(1,2-benzoxazol-3-yl)-3-[2-(4-chlorophenyl)ethyl]thiourea CAS Name: 1-(1,2-benzoxazol-3-yl)-3-[2-(4-chlorophenyl)ethyl]thiourea IUPAC Name: 1-(1,2-benzoxazol-3-yl)-3-[2-(4-chlorophenyl)ethyl]thiourea Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-3-indoxazen-3-yl-thiourea Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)NC(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)NC(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)9-10-18-16(22)19-15-13-3-1-2-4-14(13)21-20-15/h1-8H,9-10H2,(H2,18,19,20,22)