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

Systemtic Name: 1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=C(C2=CC=CC=C2O1)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=C(C2=CC=CC=C2O1)C

InChI

InChI=1S/C16H21N3O2S/c1-3-4-7-10-17-16(22)19-18-15(20)14-11(2)12-8-5-6-9-13(12)21-14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,20)(H2,17,19,22)