1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-3-ethyl-thiourea

Systemtic Name: 1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-3-ethyl-thiourea Openeye Name: 1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl]-3-ethyl-thiourea CAS Name: 1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-3-ethylthiourea IUPAC Name: 1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-3-ethylthiourea Traditional Name: 1-[(3aR,7aS)-3-cyano-3a,4,5,6,7,7a-hexahydrobenzothiophen-2-yl]-3-ethyl-thiourea Formula: C12H17N3S2 MolecularWeight: 267.41348

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C2CCCCC2S1)C#N

Isomeric SMILES

CCNC(=S)NC1=C([C@H]2CCCC[C@@H]2S1)C#N

InChI

InChI=1S/C12H17N3S2/c1-2-14-12(16)15-11-9(7-13)8-5-3-4-6-10(8)17-11/h8,10H,2-6H2,1H3,(H2,14,15,16)/t8-,10+/m1/s1