1-[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3,5-dichlorobenzothiophene-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(3,5-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3,5-dichloro-1-benzothiophene-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3,5-dichlorobenzothiophene-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea Formula: C16H10Cl2N4O3S2 MolecularWeight: 441.3116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl2N4O3S2/c17-8-1-6-12-11(7-8)13(18)14(27-12)15(23)20-21-16(26)19-9-2-4-10(5-3-9)22(24)25/h1-7H,(H,20,23)(H2,19,21,26)