3-(aminomethyl)-N-[(1S)-2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[(1S)-2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]benzamide Openeye Name: N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxo-1-phenyl-ethyl]-3-(aminomethyl)benzamide CAS Name: N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxo-1-phenylethyl]-3-(aminomethyl)benzamide IUPAC Name: N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxo-1-phenylethyl]-3-(aminomethyl)benzamide Traditional Name: N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-keto-1-phenyl-ethyl]-3-(aminomethyl)benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)N=C(S3)N)NC(=O)C4=CC(=CC=C4)CN

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NC2=CC3=C(C=C2)N=C(S3)N)NC(=O)C4=CC(=CC=C4)CN

InChI

InChI=1S/C23H21N5O2S/c24-13-14-5-4-8-16(11-14)21(29)28-20(15-6-2-1-3-7-15)22(30)26-17-9-10-18-19(12-17)31-23(25)27-18/h1-12,20H,13,24H2,(H2,25,27)(H,26,30)(H,28,29)/t20-/m0/s1