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

Systemtic Name: 1-[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[(3-chloro-6-ethyl-1-benzothiophen-2-yl)-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]-3-homoveratryl-thiourea Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C22H24ClN3O3S2/c1-4-13-5-7-15-18(12-13)31-20(19(15)23)21(27)25-26-22(30)24-10-9-14-6-8-16(28-2)17(11-14)29-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,25,27)(H2,24,26,30)