S-(1,3-benzoxazol-2-yl) N-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]carbamothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) N-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]carbamothioate Openeye Name: S-(1,3-benzoxazol-2-yl) N-[[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]carbamothioate CAS Name: N-[[1-(1-azepanylmethyl)-2-oxo-3-indolylidene]amino]carbamothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) N-[[1-(azepan-1-ylmethyl)-2-oxoindol-3-ylidene]amino]carbamothioate Traditional Name: N-[[1-(azepan-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]thiocarbamic acid S-(1,3-benzoxazol-2-yl) ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)SC4=NC5=CC=CC=C5O4)C2=O

Isomeric SMILES

C1CCCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)SC4=NC5=CC=CC=C5O4)C2=O

InChI

InChI=1S/C23H23N5O3S/c29-21-20(25-26-22(30)32-23-24-17-10-4-6-12-19(17)31-23)16-9-3-5-11-18(16)28(21)15-27-13-7-1-2-8-14-27/h3-6,9-12H,1-2,7-8,13-15H2,(H,26,30)