4-(4-chloranylthiophen-2-yl)-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]isoquinoline-6-carboxamide

Systemtic Name: 4-(4-chloranylthiophen-2-yl)-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]isoquinoline-6-carboxamide Openeye Name: 4-(4-chloro-2-thienyl)-1-[5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]isoquinoline-6-carboxamide CAS Name: 4-(4-chloro-2-thiophenyl)-1-[5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]-6-isoquinolinecarboxamide IUPAC Name: 4-(4-chlorothiophen-2-yl)-1-[5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]isoquinoline-6-carboxamide Traditional Name: 4-(4-chloro-2-thienyl)-1-[5-(4-cyclohexylpiperazino)thiazol-2-yl]isoquinoline-6-carboxamide Formula: C27H28ClN5OS2 MolecularWeight: 538.12712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CN=C(S3)C4=NC=C(C5=C4C=CC(=C5)C(=O)N)C6=CC(=CS6)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CN=C(S3)C4=NC=C(C5=C4C=CC(=C5)C(=O)N)C6=CC(=CS6)Cl

InChI

InChI=1S/C27H28ClN5OS2/c28-18-13-23(35-16-18)22-14-30-25(20-7-6-17(26(29)34)12-21(20)22)27-31-15-24(36-27)33-10-8-32(9-11-33)19-4-2-1-3-5-19/h6-7,12-16,19H,1-5,8-11H2,(H2,29,34)