1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]thiourea CAS Name: 1-(4-acetylphenyl)-3-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]thiourea Formula: C18H13ClN4O4S2 MolecularWeight: 448.90322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O4S2/c1-9(24)10-2-4-11(5-3-10)20-18(28)22-21-17(25)16-15(19)13-7-6-12(23(26)27)8-14(13)29-16/h2-8H,1H3,(H,21,25)(H2,20,22,28)