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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(3-chloro-6-ethyl-1-benzothiophen-2-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]thiourea Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)CC)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)CC)Cl

InChI

InChI=1S/C22H24ClN3OS2/c1-3-5-6-15-7-10-16(11-8-15)24-22(28)26-25-21(27)20-19(23)17-12-9-14(4-2)13-18(17)29-20/h7-13H,3-6H2,1-2H3,(H,25,27)(H2,24,26,28)