1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-thiourea

Systemtic Name: 1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-thiourea Openeye Name: 1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-thiourea CAS Name: 1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethylthiourea IUPAC Name: 1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethylthiourea Traditional Name: 1-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-thiourea Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C2=C(S1)CC(CC2)C)C#N

Isomeric SMILES

CCNC(=S)NC1=C(C2=C(S1)C[C@@H](CC2)C)C#N

InChI

InChI=1S/C13H17N3S2/c1-3-15-13(17)16-12-10(7-14)9-5-4-8(2)6-11(9)18-12/h8H,3-6H2,1-2H3,(H2,15,16,17)/t8-/m1/s1