4-[[3-chloranyl-4-(thiophen-3-ylmethoxy)phenyl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide

Systemtic Name: 4-[[3-chloranyl-4-(thiophen-3-ylmethoxy)phenyl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 4-[3-chloro-4-(3-thienylmethoxy)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 4-[3-chloro-4-(3-thiophenylmethoxy)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 4-[3-chloro-4-(thiophen-3-ylmethoxy)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 4-[3-chloro-4-(3-thenyloxy)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)OCC4=CSC=C4)Cl)C(=O)N

Isomeric SMILES

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)OCC4=CSC=C4)Cl)C(=O)N

InChI

InChI=1S/C20H19ClN4O2S/c21-15-9-13(5-6-17(15)27-10-12-7-8-28-11-12)23-19-14-3-1-2-4-16(14)24-20(25-19)18(22)26/h1-9,11,14,16,19,23H,10H2,(H2,22,26)(H,24,25)