1-[(2S)-2-methylheptyl]-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(2-oxochromene-3-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(2-oxochromene-3-carbonyl)amino]thiourea Traditional Name: 1-[(2-ketochromene-3-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C19H25N3O3S/c1-3-4-5-8-13(2)12-20-19(26)22-21-17(23)15-11-14-9-6-7-10-16(14)25-18(15)24/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,21,23)(H2,20,22,26)/t13-/m0/s1