1-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[(5-methoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C

InChI

InChI=1S/C20H29N3O3S/c1-5-6-7-8-13(2)12-21-20(27)23-22-19(24)18-14(3)16-11-15(25-4)9-10-17(16)26-18/h9-11,13H,5-8,12H2,1-4H3,(H,22,24)(H2,21,23,27)/t13-/m0/s1