3-(aminomethyl)-N-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-(aminomethyl)-N-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 3-(aminomethyl)-N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 3-(aminomethyl)-N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 3-(aminomethyl)-N-[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)CN

InChI

InChI=1S/C18H18N4O2S/c1-11(20-17(24)13-6-4-5-12(9-13)10-19)16(23)22-18-21-14-7-2-3-8-15(14)25-18/h2-9,11H,10,19H2,1H3,(H,20,24)(H,21,22,23)