1-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-phenyl-thiourea CAS Name: 1-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-3-phenylthiourea Traditional Name: 1-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-phenyl-thiourea Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c21-15(18-19-16(24)17-11-4-2-1-3-5-11)14-9-10-8-12(20(22)23)6-7-13(10)25-14/h1-9H,(H,18,21)(H2,17,19,24)