1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(3-methylphenyl)urea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(m-tolyl)urea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(m-tolyl)urea Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O4S/c1-9-3-2-4-10(7-9)19-17(24)21-20-16(23)15-14(18)12-6-5-11(22(25)26)8-13(12)27-15/h2-8H,1H3,(H,20,23)(H2,19,21,24)