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

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)thiourea Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O4S2/c1-26-11-5-2-9(3-6-11)19-17(27)21-20-16(23)15-14(18)12-7-4-10(22(24)25)8-13(12)28-15/h2-8H,1H3,(H,20,23)(H2,19,21,27)