1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethylphenyl)thiourea

Systemtic Name: 1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(4-ethylphenyl)thiourea CAS Name: 1-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(4-ethylphenyl)thiourea Formula: C18H15ClFN3OS2 MolecularWeight: 407.912603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN3OS2/c1-2-10-3-6-12(7-4-10)21-18(25)23-22-17(24)16-15(19)13-8-5-11(20)9-14(13)26-16/h3-9H,2H2,1H3,(H,22,24)(H2,21,23,25)