(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl N'-(cyclohepten-1-ylamino)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl N'-(cyclohepten-1-ylamino)carbamimidothioate Openeye Name: 3-(cyclohepten-1-ylamino)-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isothiourea CAS Name: N'-(1-cycloheptenylamino)carbamimidothioic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl N'-(cyclohepten-1-ylamino)carbamimidothioate Traditional Name: 3-(cyclohepten-1-ylamino)-2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]isothiourea Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC=C(CC1)NN=C(N)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC=C(CC1)NN=C(N)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H20N6OS/c17-16(20-18-12-7-3-1-2-4-8-12)24-11-22-15(23)13-9-5-6-10-14(13)19-21-22/h5-7,9-10,18H,1-4,8,11H2,(H2,17,20)