S-methyl 4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepine-9-carbothioate

Systemtic Name: S-methyl 4-[bis(azanyl)methylidenecarbamoyl]-2,3-dihydro-1-benzoxepine-9-carbothioate Openeye Name: S-methyl 4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepine-9-carbothioate CAS Name: 4-[(diaminomethylideneamino)-oxomethyl]-2,3-dihydro-1-benzoxepin-9-carbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(diaminomethylidenecarbamoyl)-2,3-dihydro-1-benzoxepine-9-carbothioate Traditional Name: 4-(diaminomethylenecarbamoyl)-2,3-dihydro-1-benzoxepin-9-carbothioic acid S-methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

CSC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C14H15N3O3S/c1-21-13(19)10-4-2-3-8-7-9(5-6-20-11(8)10)12(18)17-14(15)16/h2-4,7H,5-6H2,1H3,(H4,15,16,17,18)