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

Systemtic Name: 1-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-homoveratryl-thiourea Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O5S2/c1-29-14-6-3-11(9-15(14)30-2)7-8-22-20(31)24-23-19(26)18-17(21)13-5-4-12(25(27)28)10-16(13)32-18/h3-6,9-10H,7-8H2,1-2H3,(H,23,26)(H2,22,24,31)