4-[2-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[2-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[2-[3-[(3-methyl-1-piperidyl)methyl]anilino]thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[2-[3-[(3-methyl-1-piperidinyl)methyl]anilino]-4-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[2-[3-[(3-methylpiperidin-1-yl)methyl]anilino]-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[2-[3-[(3-methylpiperidino)methyl]anilino]thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine Formula: C22H27N5S3 MolecularWeight: 457.67828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC(=CC=C2)NC3=NC(=CS3)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CC1CCCN(C1)CC2=CC(=CC=C2)NC3=NC(=CS3)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C22H27N5S3/c1-14-5-4-8-27(11-14)12-15-6-3-7-16(9-15)25-22-26-18(13-29-22)17-10-19(20(23)24)30-21(17)28-2/h3,6-7,9-10,13-14H,4-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,26)