1-[(2S)-6-methylheptan-2-yl]-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea

Systemtic Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Openeye Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea CAS Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea IUPAC Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(Z)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NN=C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)N/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C19H28N4O2S/c1-12(2)6-5-7-13(3)20-19(26)23-22-14(4)15-8-9-17-16(10-15)21-18(24)11-25-17/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,24)(H2,20,23,26)/b22-14-/t13-/m0/s1