[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C23H26N4OS2 MolecularWeight: 438.60874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26N4OS2/c1-17-11-12-19-20(15-17)30-22(25-19)26-21(28)16-29-23(24-18-9-5-4-6-10-18)27-13-7-2-3-8-14-27/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,25,26,28)