1-(3-methylbutyl)-3-[(4-pentoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(4-pentoxyphenyl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(4-pentoxybenzoyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(4-pentoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(4-pentoxybenzoyl)amino]thiourea Traditional Name: 1-[(4-amoxybenzoyl)amino]-3-isoamyl-thiourea Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C18H29N3O2S/c1-4-5-6-13-23-16-9-7-15(8-10-16)17(22)20-21-18(24)19-12-11-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,20,22)(H2,19,21,24)