1-(4-butylphenyl)-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C21H23N3O2S/c1-3-4-7-15-10-12-16(13-11-15)22-21(27)24-23-20(25)19-14(2)17-8-5-6-9-18(17)26-19/h5-6,8-13H,3-4,7H2,1-2H3,(H,23,25)(H2,22,24,27)