1-[(3,4-dimethoxyphenyl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[(3,4-dimethoxybenzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[(3,4-dimethoxybenzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-(veratroylamino)thiourea Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-5-6-7-8-13(2)12-19-18(25)21-20-17(22)14-9-10-15(23-3)16(11-14)24-4/h9-11,13H,5-8,12H2,1-4H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1