methyl N'-acridin-9-yl-N,N-bis(2-methylpropyl)carbamimidothioate

Systemtic Name: methyl N'-acridin-9-yl-N,N-bis(2-methylpropyl)carbamimidothioate Openeye Name: 3-acridin-9-yl-1,1-diisobutyl-2-methyl-isothiourea CAS Name: N'-(9-acridinyl)-N,N-bis(2-methylpropyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-acridin-9-yl-N,N-bis(2-methylpropyl)carbamimidothioate Traditional Name: 3-acridin-9-yl-1,1-diisobutyl-2-methyl-isothiourea Formula: C23H29N3S MolecularWeight: 379.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

Isomeric SMILES

CC(C)CN(CC(C)C)C(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

InChI

InChI=1S/C23H29N3S/c1-16(2)14-26(15-17(3)4)23(27-5)25-22-18-10-6-8-12-20(18)24-21-13-9-7-11-19(21)22/h6-13,16-17H,14-15H2,1-5H3