N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylcarbonylamino)-N-methyl-benzamide

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropylcarbonylamino)-N-methyl-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropanecarbonylamino)-N-methyl-benzamide CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-[[cyclopropyl(oxo)methyl]amino]-N-methylbenzamide IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclopropanecarbonylamino)-N-methyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H21N3O2S/c1-13(20-23-17-5-3-4-6-18(17)27-20)24(2)21(26)15-9-11-16(12-10-15)22-19(25)14-7-8-14/h3-6,9-14H,7-8H2,1-2H3,(H,22,25)/t13-/m0/s1