1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C17H10ClF3N4O3S2 MolecularWeight: 474.86451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C17H10ClF3N4O3S2/c18-13-11-5-4-10(25(27)28)7-12(11)30-14(13)15(26)23-24-16(29)22-9-3-1-2-8(6-9)17(19,20)21/h1-7H,(H,23,26)(H2,22,24,29)