N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylcarbamoylamino)propanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylcarbamoylamino)propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(phenylcarbamoylamino)propanamide CAS Name: 3-[[anilino(oxo)methyl]amino]-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylcarbamoylamino)propanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(phenylcarbamoylamino)propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-13-7-8-15-16(12-21)19(27-17(15)11-13)24-18(25)9-10-22-20(26)23-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,24,25)(H2,22,23,26)/t13-/m0/s1