N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzylcarbamoylamino)propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzylcarbamoylamino)propanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzylcarbamoylamino)propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-13(26)23-15-7-8-16-17(11-15)29-20(24-16)25-18(27)9-10-21-19(28)22-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H2,21,22,28)(H,24,25,27)