1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]-3-phenyl-thiourea Formula: C20H22N5OS2+ MolecularWeight: 412.55158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS2/c1-20(2,3)14-9-11-25(12-10-14)17-16(28-19(26)23-17)13-21-24-18(27)22-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2-,21,22,23,24,26,27)/p+1