[4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate

Systemtic Name: [4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl ester IUPAC Name: [4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate Traditional Name: 2-[4-(4-keto-6-methyl-3,1-benzoxazin-2-yl)benzyl]isothiourea Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)CSC(=N)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)CSC(=N)N

InChI

InChI=1S/C17H15N3O2S/c1-10-2-7-14-13(8-10)16(21)22-15(20-14)12-5-3-11(4-6-12)9-23-17(18)19/h2-8H,9H2,1H3,(H3,18,19)