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

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)thiourea Formula: C16H10ClN5O5S2 MolecularWeight: 451.8641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O5S2/c17-13-11-5-4-10(22(26)27)7-12(11)29-14(13)15(23)19-20-16(28)18-8-2-1-3-9(6-8)21(24)25/h1-7H,(H,19,23)(H2,18,20,28)