N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclohexylcarbamoylamino)-N-methyl-butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclohexylcarbamoylamino)-N-methyl-butanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclohexylcarbamoylamino)-N-methyl-butanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[[(cyclohexylamino)-oxomethyl]amino]-N-methylbutanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(cyclohexylcarbamoylamino)-N-methyl-butyramide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCNC(=O)NC3CCCCC3

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCNC(=O)NC3CCCCC3

InChI

InChI=1S/C21H30N4O2S/c1-15(20-24-17-11-6-7-12-18(17)28-20)25(2)19(26)13-8-14-22-21(27)23-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H2,22,23,27)